Data quality metrics extracted from 5lnl.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "8b21153889ae9273bfd700b4a342c736",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 128.438,
    "b": 50.400,
    "c": 256.796,
    "alpha": 90.00,
    "beta": 101.94,
    "gamma": 90.00
  },
  "wavelengths": [0.97961],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.600,3.300],
    "number_observations": 50038,
    "number_observations_unique": 24219,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.333
      },
      {
        "type": "R(meas)",
        "value": 0.441
      },
      {
        "type": "R(pim)",
        "value": 0.286
      },
      {
        "type": "I/SigI",
        "value": 2.700
      },
      {
        "type": "Completeness",
        "value": 97.700
      },
      {
        "type": "Redundancy",
        "value": 2.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.962
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.530,3.300],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.114
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "Redundancy",
          "value": 2.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.490
        }
      ]
    },
    {
      "resolution_limits": [29.600,9.330],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "Completeness",
          "value": 94.100
        },
        {
          "type": "Redundancy",
          "value": 1.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):